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(25S)-5alpha-cholestan-3beta,4beta,6alpha,7beta,8beta,15alpha,16beta,26-octol

PropertiesImage
MNX_IDMNXM28681 Image of MNXM28681
referencechebi:187762
formulaC27H48O8
global charge0
mol weight500.673
InChIKeyVYOXQPQXOVKJIA-XBHPCWOHSA-N
InChIInChI=1S/C27H48O8/c1-13(12-28)6-5-7-14(2)17-20(31)22(33)23-26(17,4)11-9-16-25(3)10-8-15(29)19(30)18(25)21(32)24(34)27(16,23)35/h13-24,28-35H,5-12H2,1-4H3/t13-,14+,15-,16+,17-,18+,19-,20+,21+,22-,23+,24+,25+,26+,27-/m0/s1
SMILESC[C@H](CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)[C@@H](O)[C@]12O
MNX internals
InChI (mnx)InChI=1/C27H48O8/c1-13(12-28)6-5-7-14(2)17-20(31)22(33)23-26(17,4)11-9-16-25(3)10-8-15(29)19(30)18(25)21(32)24(34)27(16,23)35/h13-24,28-35H,5-12H2,1-4H3/t13-,14+,15-,16+,17-,18+,19-,20+,21+,22-,23+,24+,25+,26+,27-/m0/s1 Image of MNXM28681
SMILES (mnx)[CH3:1][C@@H:13]([CH2:6][CH2:5][CH2:7][C@@H:14]([CH3:2])[C@H:17]1[C@@H:20]([OH:31])[C@H:22]([OH:33])[C@@H:23]2[C@:26]1([CH3:4])[CH2:11][CH2:9][C@@H:16]1[C@@:25]3([CH3:3])[CH2:10][CH2:8][C@H:15]([OH:29])[C@H:19]([OH:30])[C@@H:18]3[C@@H:21]([OH:32])[C@@H:24]([OH:34])[C@:27]12[OH:35])[CH2:12][OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:187762
chebi:187762
VYOXQPQXOVKJIA-XBHPCWOHSA-N 		(25S)-5alpha-cholestan-3beta,4beta,6alpha,7beta,8beta,15alpha,16beta,26-octol
(3S,4R,5R,6R,7R,8S,9R,10S,13R,14S,15R,16R,17R)-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,7,8,15,16-heptol

lipidmaps:LMST01010326
lipidmapsM:LMST01010326
VYOXQPQXOVKJIA-XBHPCWOHSA-N 		(25S)-5alpha-cholestan-3beta,4beta,6alpha,7beta,8beta,15alpha,16beta,26-octol
O8
ST 27:0

CHEBI:228370
chebi:228370
VYOXQPQXOVKJIA-AXJIBWOSSA-N 		(9xi,14xi,25S)-cholestane-3beta,4beta,6alpha,7alpha,8,15alpha,16beta,26-octol